N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide

C14H17N3O2S — CID 692339

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)12-16-17-13(20-12)15-11(18)9-5-7-10(19-4)8-6-9/h5-8H,1-4H3,(H,15,17,18)
InChIKeyHRBQZEOACVFOBH-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.10
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide (PubChem CID 692339) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
PubChem CID692339
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)12-16-17-13(20-12)15-11(18)9-5-7-10(19-4)8-6-9/h5-8H,1-4H3,(H,15,17,18)
InChIKeyHRBQZEOACVFOBH-UHFFFAOYSA-N
XLogP3.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}pentanamide
CID 5925639
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2078271
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 2162155
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 3148009
N-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 24762116
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide (CID 692339) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
The InChIKey is HRBQZEOACVFOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(2,3)12-16-17-13(20-12)15-11(18)9-5-7-10(19-4)8-6-9/h5-8H,1-4H3,(H,15,17,18).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide has a molecular weight of 291.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 692339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).